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Home > Other Heterocycles > 1026796-27-9
1026796-27-9 | 2,5,7-Triazaspiro[3.4]octane-6,8-dione hydrochloride
CAS No: 1026796-27-9 Catalog No: AG00H9U4 MDL No:MFCD20688617
Product Description
Catalog Number:
AG00H9U4
Chemical Name:
2,5,7-Triazaspiro[3.4]octane-6,8-dione hydrochloride
CAS Number:
1026796-27-9
Molecular Formula:
C5H8ClN3O2
Molecular Weight:
177.5889
MDL Number:
MFCD20688617
IUPAC Name:
2,5,7-triazaspiro[3.4]octane-6,8-dione;hydrochloride
InChI:
InChI=1S/C5H7N3O2.ClH/c9-3-5(1-6-2-5)8-4(10)7-3;/h6H,1-2H2,(H2,7,8,9,10);1H
InChI Key:
APFZBOWOQWUJFJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC21CNC2.Cl
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
177.588g/mol
Monoisotopic Mass:
177.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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